General Information of the Compound
Compound ID
CP0353573
Compound Name
2-morpholino-N6-(tetrahydro-2H-pyran-4-yl)-4,5'-bipyrimidine-2',6-diamine
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Structure
Formula
C17H23N7O2
Molecular Weight
357.418
Canonical SMILES
Nc1ncc(cn1)-c1cc(NC2CCOCC2)nc(n1)N1CCOCC1
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InChI
InChI=1S/C17H23N7O2/c18-16-19-10-12(11-20-16)14-9-15(21-13-1-5-25-6-2-13)23-17(22-14)24-3-7-26-8-4-24/h9-11,13H,1-8H2,(H2,18,19,20)(H,21,22,23)
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InChIKey
RNQKMWDKLIRSBO-UHFFFAOYSA-N
Physicochemical Property
logP
0.9433
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
111.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 53318782
ChEMBL ID
CHEMBL1672330
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
EC50 = 220 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM